* LIGAND DATABASE FILE (OPLS2005)
*
001      98   101    193    317     586
    1     0 S   NP   _N1_     1    28.73194    94.92741   -22.46723
    2     1 S   H    _HN1     2     1.02782    97.56456   -93.85602
    3     1 S   H    _H1_     3     1.02953    83.32106    13.85755
    4     1 S   H    _H2_     4     1.02829    31.13255   153.83386
    5     1 S   CT   _CA1     5     1.50116   139.80292   127.74812
    6     5 S   HC   _HA1     6     1.09572   105.21281    73.29093
    7     5 S   CO3  _C1_     7     1.53799   112.42638   -46.95914
    8     7 S   O2Z  _O11     8     1.26371   115.01015   -42.92519
    9     7 S   O2Z  _O12     9     1.26238   114.95133   136.21494
   10     5 S   CT   _CB1    10     1.53084   107.42083  -168.72324
   11    10 S   HC   HB11    11     1.09830   109.40299   -49.77050
   12    10 S   HC   HB12    12     1.09815   110.42340    66.83654
   13    10 S   CT   _CG1    13     1.52985   112.60805  -170.77009
   14    13 S   HC   HG11    14     1.09588   110.57184   -64.51203
   15    13 S   HC   HG12    15     1.09665   109.85720    54.72210
   16    13 S   C    _CD1    16     1.51797   112.28019   175.16876
   17    16 S   O    _OE1    17     1.22729   123.30635     3.84894
   18    16 S   N    _N2_    18     1.38646   111.62159  -176.26126
   19    18 S   H    _HN2    19     1.01586   118.98158     1.79929
   20    18 S   CT1  _CA2    20     1.46204   123.38869   178.64636
   21    20 S   HC   _HA2    21     1.09744   109.37263    -0.46394
   22    20 S   C    _C2_    22     1.53520   108.65664  -115.93521
   23    22 S   O    _O2_    23     1.23055   122.28294  -148.79566
   24    20 S   CT   _CB2    32     1.53588   111.58573   121.49402
   25    24 S   HC   HB21    33     1.09466   109.17896    55.93095
   26    24 S   HC   HB22    34     1.09158   109.48956   174.62808
   27    22 S   N    _N3_    24     1.38332   113.67171    38.72294
   28    27 S   H    _HN3    25     1.01602   119.54764    -3.54039
   29    24 S   S    _SG2    35     1.82907   110.83863   -64.31866
   30    27 S   CT   _CA3    26     1.45284   123.17374   177.03186
   31    30 S   HC   HA31    27     1.09550   107.52428   -64.11736
   32    30 S   HC   HA32    28     1.09557   107.95927    52.30398
   33    29 S   CT   _C22    36     1.92116   104.70084  -170.62319
   34    30 S   CO3  _C3_    29     1.52947   114.11103   174.29903
   35    34 S   O2Z  _O31    30     1.26372   116.06824    -0.43024
   36    34 S   O2Z  _O32    31     1.26431   114.40957   179.62518
   37    33 S   CT   _C9_    37     1.54730   109.55497   -32.44694
   38    37 S   HC   _H34    38     1.09527   111.20854   172.47256
   39    37 S   HC   _H35    39     1.09323   112.05875    55.39467
   40    33 S   CT   _C17    54     1.56561   109.24685    90.63176
   41    40 S   HC   _H47    55     1.09773   107.55117   178.74010
   42    37 S   CO4  _C6_    40     1.51815   112.89680   -66.63861
   43    42 S   O    _O25    41     1.23029   121.37406   158.78730
   44    40 S   CT   _C24    56     1.53492   115.95349   -64.49889
   45    44 S   HC   _H52    57     1.09356   112.18342    70.10700
   46    44 S   HC   _H53    58     1.09310   111.93864   -52.77497
   47    44 S   HC   _H54    59     1.09645   109.96478  -171.28562
   48    42 S   CM   _C4_    42     1.48236   119.21502   -22.91844
   49    48 S   HC   _H32    43     1.08375   117.72233   176.69062
   50    48 S   CM   _C5_    44     1.33956   120.71406    -5.02968
   51    50 S   HC   _H33    45     1.08548   117.02325  -176.80543
   52    33 S   CT   _C19    46     1.61183   108.87402  -151.26994
   53    52 S   CT   _C16    47     1.58903   109.55468   -59.17917
   54    53 S   HC   _H46    48     1.09790   107.02005    58.93355
   55    52 S   CT   _C25    95     1.56044   111.83489   178.32942
   56    55 S   HC   _H55    96     1.09219   113.07709    71.49253
   57    55 S   HC   _H56    97     1.09389   112.79242   -49.76437
   58    55 S   HC   _H57    98     1.09486   111.88444  -167.09111
   59    53 S   CT   _C15    49     1.56388   111.35649   -56.88747
   60    59 S   HC   _H45    50     1.09413   109.38688   -67.69746
   61    53 S   CT   _C18    73     1.56244   117.18130   173.54162
   62    61 S   HC   _H48    74     1.09496   109.08046   -60.69827
   63    59 S   CT   _C12    51     1.53796   112.93167    50.97213
   64    63 S   HC   _H40    52     1.09719   109.68344    75.44179
   65    63 S   HC   _H41    53     1.09828   108.47620  -169.86372
   66    59 S   CT   _C14    60     1.53935   108.38224   173.57899
   67    66 S   HC   _H44    61     1.10285   105.85435   -57.93923
   68    61 S   OH   _O28    75     1.41917   111.92579    56.99189
   69    68 S   HO   _H63    76     0.97235   107.82987  -176.12677
   70    66 S   CT   _C10    62     1.52287   118.67694  -176.41100
   71    70 S   HC   _H36    63     1.09485   112.16117    75.84763
   72    70 S   HC   _H37    64     1.09584   111.47080   -44.84115
   73    70 S   CT   _C11    65     1.53975   104.12770  -163.98366
   74    73 S   HC   _H38    66     1.09518   108.48531   132.80662
   75    73 S   HC   _H39    67     1.09617   109.77289  -110.23644
   76    73 S   CT   _C20    68     1.55731   106.77246    10.66511
   77    66 S   CT   _C21    69     1.54912   114.06686    61.08717
   78    76 S   CO4  _C7_    81     1.53863   112.86122   144.62943
   79    78 S   O    _O26    82     1.23282   121.54307    -4.37488
   80    76 S   OH   _O29    93     1.42821   107.92186   -98.43885
   81    80 S   HO   _H64    94     0.97295   108.25840   -55.65330
   82    77 S   CT   _C13    70     1.54534   106.73955   -60.41223
   83    82 S   HC   _H42    71     1.09696   109.97149   -66.07899
   84    82 S   HC   _H43    72     1.09469   109.92083   176.77712
   85    77 S   CT   _C26    77     1.55253   113.22018    61.91708
   86    85 S   HC   _H58    78     1.09504   112.48760    69.16050
   87    85 S   HC   _H59    79     1.09130   113.31227   -51.16250
   88    85 S   HC   _H60    80     1.09549   110.72384  -171.43480
   89    78 S   CT   _C27    83     1.52054   117.59517   175.50848
   90    89 S   HC   _H61    84     1.09254   108.81430    75.37672
   91    89 S   HC   _H62    85     1.09368   109.68497   -46.71023
   92    89 S   OS   _O30    86     1.43051   108.62332  -165.92390
   93    92 S   CO4  _C8_    87     1.36257   115.23849  -178.18814
   94    93 S   O    _O27    88     1.22340   126.18484    -0.05935
   95    93 S   CT   _C23    89     1.49832   109.63434   179.94405
   96    95 S   HC   _H49    90     1.09289   109.83418   -60.94867
   97    95 S   HC   _H50    91     1.09380   109.35708  -179.98022
   98    95 S   HC   _H51    92     1.09289   109.83513    60.96817
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  26   2   1   1  14   6   5  16   9   6   3   8   3   2   1   6
   3  10   3  14  21   9   5   2   1   1  17   8  11   6   6   2
   1  18   8   5   1  11   6   5  11   5   4  16  12  10   5   4
   1   6   2   1   3   2   1   1   6   3   2   6   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    52    53    63    40    41    44    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    48    50    51    52    53    54    59    63    64    65    40    41    44    45    46    47    61    55    56    57    58  
   35    36  
   36  
    0  
   38    39    42    43    48    49    50    52    53    63    40    41    44    55  
   39    42    43    48    52    40  
   42    43    48    52    40  
   41    44    45    46    47    66    55    42    50    52    53    59    60    63    64    65  
   44    45    46    47    52    59    63    64    65  
   43    48    49    50    51    52  
   48    49    50  
   45    46    47    52    59    63    64    65  
   46    47    63  
   47    63  
   63  
   49    50    51    52    53    55  
   50    51    52  
   51    52    53    54    59    61    55    56    57    58  
   52    53    55  
   53    54    59    60    63    66    82    61    62    68    55    56    57    58  
   54    59    60    63    64    65    66    67    70    77    82    83    84    61    62    68    69    55    56    57    58  
   59    60    63    66    82    61    62    68    55  
   56    57    58    59    61  
   57    58  
   58  
    0  
   60    63    64    65    66    67    70    71    72    73    76    77    82    61    62    68    85  
   63    64    65    66    67    70    77    61  
   62    68    69    85    63    66    76    77    82    83    84  
   68    69    77    82    83    84  
   64    65    66    67    70    77  
   65    66  
   66  
   67    70    71    72    73    74    75    76    77    82    83    84    85    86    87    88    78    80  
   70    71    72    73    76    77    82    85  
   69    77    82    83    84  
   82  
   71    72    73    74    75    76    77    82    85    78    80  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75    76    77    82    85    78    79    89    80    81  
   75    76    77    78    80  
   76    77    78    80  
   77    82    83    84    85    86    87    88    78    79    89    90    91    92    80    81  
   82    83    84    85    86    87    88    78    79    89    80    81  
   79    89    90    91    92    93    80    81    82    85  
   89    90    91    92    80  
   81    82    85    89  
    0  
   83    84    85    86    87    88  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92    93    94    95  
   91    92    93  
   92    93  
   93    94    95    96    97    98  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98  
   97    98  
   98  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    48   320.000  1.462
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   340.000  1.080
   50    52   317.000  1.510
   52    53   268.000  1.529
   52    55   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    61   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    40   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    77   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   268.000  1.529
   76    78   317.000  1.522
   76    80   320.000  1.410
   77    82   268.000  1.529
   77    85   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    61   268.000  1.529
   61    62   340.000  1.090
   61    68   320.000  1.410
   68    69   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   78    79   570.000  1.229
   78    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   320.000  1.410
   92    93   214.000  1.327
   93    94   570.000  1.229
   93    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   80    81   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    52    50    70.00000  112.02700
   33    52    53    58.35000  112.70000
   33    52    55    58.35000  112.70000
   33    40    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   37    42    43    80.00000  120.40000
   37    42    48    65.00000  118.62400
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    48    49    40.00000  117.72500
   42    48    50    65.00000  118.96000
   48    42    43    80.00000  123.72100
   48    50    51    35.00000  120.00000
   48    50    52    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    52    53    70.00000  112.02700
   50    52    55    70.00000  112.02700
   52    33    37    58.35000  112.70000
   52    50    51    35.00000  117.00000
   52    53    54    37.50000  110.70000
   52    53    59    58.35000  112.70000
   52    53    61    58.35000  112.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    63    58.35000  112.70000
   53    59    66    58.35000  112.70000
   53    61    82    58.35000  112.70000
   53    61    62    37.50000  110.70000
   53    61    68    50.00000  109.50000
   59    53    54    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    40    58.35000  112.70000
   59    66    67    37.50000  110.70000
   59    66    70    58.35000  112.70000
   59    66    77    58.35000  112.70000
   63    59    60    37.50000  110.70000
   63    40    41    37.50000  110.70000
   63    40    44    58.35000  112.70000
   65    63    64    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    63    65    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    63    58.35000  112.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    58.35000  112.70000
   66    77    76    58.35000  112.70000
   66    77    82    58.35000  112.70000
   66    77    85    58.35000  112.70000
   70    66    67    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    58.35000  112.70000
   73    76    78    63.00000  111.10000
   73    76    80    50.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    77    82    58.35000  112.70000
   76    77    85    58.35000  112.70000
   76    78    79    80.00000  120.40000
   76    78    89    70.00000  116.00000
   76    80    81    55.00000  108.50000
   77    66    67    37.50000  110.70000
   77    66    70    58.35000  112.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    61    58.35000  112.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   82    61    62    37.50000  110.70000
   82    61    68    50.00000  109.50000
   84    82    83    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    59    58.35000  112.70000
   61    82    83    37.50000  110.70000
   61    82    84    37.50000  110.70000
   61    68    69    55.00000  108.50000
   68    61    62    35.00000  109.50000
   85    77    82    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   78    76    77    63.00000  111.10000
   78    89    90    35.00000  109.50000
   78    89    91    35.00000  109.50000
   78    89    92    90.00000  108.74100
   89    78    79    80.00000  120.40000
   89    92    93    83.00000  116.90000
   91    89    90    33.00000  107.80000
   92    89    90    35.00000  109.50000
   92    89    91    35.00000  109.50000
   92    93    94    83.00000  123.40000
   92    93    95    81.00000  111.40000
   93    95    96    35.00000  109.50000
   93    95    97    35.00000  109.50000
   93    95    98    35.00000  109.50000
   95    93    94    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   80    76    77    50.00000  109.50000
   80    76    78    90.00000  109.61100
   55    52    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
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   80    76    77    82   0.86500  1.0 1.0
   80    76    77    82  -0.17500 -1.0 2.0
   80    76    77    82   0.20800  1.0 3.0
   80    76    77    85   0.86500  1.0 1.0
   80    76    77    85  -0.17500 -1.0 2.0
   80    76    77    85   0.20800  1.0 3.0
   80    76    78    79   0.30150 -1.0 2.0
   80    76    78    89   0.55300  1.0 1.0
   80    76    78    89   1.25850 -1.0 2.0
   80    76    78    89  -0.23600  1.0 3.0
   55    52    53    54   0.15000  1.0 3.0
   55    52    53    59   0.56750  1.0 1.0
   55    52    53    59  -0.07550 -1.0 2.0
   55    52    53    59   0.20000  1.0 3.0
   55    52    53    61   0.56750  1.0 1.0
   55    52    53    61  -0.07550 -1.0 2.0
   55    52    53    61   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    48    42    43  10.50000 -1.0 2.0
   42    49    48    50   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   76    89    78    79  10.50000 -1.0 2.0
   92    95    93    94  10.50000 -1.0 2.0
END
